SCHEMBL24016247

SCHEMBL24016247

Cc1ccnc(CNC(=O)c2ccc3c(c2)c2cn(C)nc2n3-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.63
TEAD4 Q15561 1/20 0.63
TEAD2 Q15562 1/20 0.63
TEAD3 Q99594 1/20 0.63
PPARG P37231 2/20 0.43
WDR5 P61964 1/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 3/20 0.39
GLS O94925 2/20 0.38
KLKB1 P03952 1/20 0.38
MAP4K1 Q92918 1/20 0.38
KDM1A O60341 1/20 0.38
HDAC1 Q13547 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24015985 0.89 TEAD1 (0.64) TEAD1TEAD4TEAD2TEAD3PPARG
SCHEMBL24016104 0.89 TEAD1 (0.63) TEAD1TEAD4TEAD2TEAD3PPARG
SCHEMBL24016635 0.89 TEAD1 (0.63) TEAD1TEAD4TEAD2TEAD3PPARG
SCHEMBL24015678 0.87 TEAD1 (0.63) TEAD1TEAD4TEAD2TEAD3PPARG
SCHEMBL24016306 0.87 TEAD1 (0.63) TEAD1TEAD4TEAD2TEAD3PPARG
SCHEMBL24016492 0.86 TEAD1 (0.67) TEAD1TEAD4TEAD2TEAD3PPARG
SCHEMBL24015634 0.85 TEAD1 (0.68) TEAD1TEAD4TEAD2TEAD3PPARG
SCHEMBL24016668 0.85 TEAD1 (0.63) TEAD1TEAD4TEAD2TEAD3PPARG
SCHEMBL24016087 0.85 TEAD1 (0.63) TEAD1TEAD4TEAD2TEAD3PPARG
SCHEMBL24016129 0.84 TEAD1 (0.74) TEAD1TEAD4TEAD2TEAD3ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021224291-A1 TRICYCLIC HETEROCYCLES USEFUL AS TEAD BINDERS MERCK PATENT GMBH (DE) 2021-11-11 WO disclosed